butyl 4-[1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate

Systemtic Name: butyl 4-[1-(phenylsulfonyl)indol-4-yl]piperazine-1-carboxylate Openeye Name: butyl 4-[1-(benzenesulfonyl)indol-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(benzenesulfonyl)-4-indolyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 4-[1-(benzenesulfonyl)indol-4-yl]piperazine-1-carboxylate Traditional Name: 4-(1-besylindol-4-yl)piperazine-1-carboxylic acid butyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCN(CC1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)N1CCN(CC1)C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c1-2-3-18-30-23(27)25-16-14-24(15-17-25)21-10-7-11-22-20(21)12-13-26(22)31(28,29)19-8-5-4-6-9-19/h4-13H,2-3,14-18H2,1H3